| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 32 | Yes |
Popular Name: IN-1166 IN-1166
None
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.05 | 8.97 | -20.2 | 2 | 7 | 0 | 103 | 417.476 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 9.36 | -51.8 | 3 | 7 | 1 | 104 | 418.484 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KPCD1-1-E | Protein Kinase C Mu (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1000 | 0.26 | Binding ≤ 10μM |
| MK14-1-E | MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1030 | 0.26 | Binding ≤ 10μM |
| TGFR1-1-E | TGF-beta Receptor Type I (cluster #1 Of 1), Eukaryotic | Eukaryotes | 12 | 0.35 | Binding ≤ 10μM |
| TGFR1-1-E | TGF-beta Receptor Type I (cluster #1 Of 1), Eukaryotic | Eukaryotes | 12 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KPCD1_HUMAN | Q15139 | Protein Kinase C Mu, Human | 1000 | 0.26 | Binding ≤ 1μM |
| TGFR1_HUMAN | P36897 | TGF-beta Receptor Type I, Human | 12 | 0.35 | Binding ≤ 1μM |
| MK14_HUMAN | Q16539 | MAP Kinase P38 Alpha, Human | 1030 | 0.26 | Binding ≤ 10μM |
| KPCD1_HUMAN | Q15139 | Protein Kinase C Mu, Human | 1000 | 0.26 | Binding ≤ 10μM |
| TGFR1_HUMAN | P36897 | TGF-beta Receptor Type I, Human | 12 | 0.35 | Binding ≤ 10μM |
| TGFR1_HUMAN | P36897 | TGF-beta Receptor Type I, Human | 12 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| activated TAK1 mediates p38 MAPK activation | |
| Activation of PPARGC1A (PGC-1alpha) by phosphorylation | |
| Activation of the AP-1 family of transcription factors | |
| ADP signalling through P2Y purinoceptor 1 | |
| CDO in myogenesis | |
| Downregulation of TGF-beta receptor signaling | |
| DSCAM interactions | |
| ERK/MAPK targets | |
| KSRP destabilizes mRNA | |
| NOD1/2 Signaling Pathway | |
| Oxidative Stress Induced Senescence | |
| p38MAPK events | |
| Platelet sensitization by LDL | |
| SMAD2/3 MH2 Domain Mutants in Cancer | |
| SMAD2/3 Phosphorylation Motif Mutants in Cancer | |
| Sphingolipid de novo biosynthesis | |
| TGF-beta receptor signaling activates SMADs | |
| TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition) | |
| TGFBR1 KD Mutants in Cancer | |
| TGFBR1 LBD Mutants in Cancer | |
| TGFBR2 Kinase Domain Mutants in Cancer | |
| VEGFA-VEGFR2 Pathway |
